(2,2-dimethylcyclopropyl)-(3-fluoro-4-methylphenyl)methanamine

C13H18FN — CID 107130024

IUPAC(2,2-dimethylcyclopropyl)-(3-fluoro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)C2CC2(C)C)cc1F
InChIInChI=1S/C13H18FN/c1-8-4-5-9(6-11(8)14)12(15)10-7-13(10,2)3/h4-6,10,12H,7,15H2,1-3H3
InChIKeyNEQMADYQABJMHS-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.18
Rot. Bonds2

About (2,2-dimethylcyclopropyl)-(3-fluoro-4-methylphenyl)methanamine

(2,2-dimethylcyclopropyl)-(3-fluoro-4-methylphenyl)methanamine (PubChem CID 107130024) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-(3-fluoro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-(3-fluoro-4-methylphenyl)methanamine
PubChem CID107130024
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name(2,2-dimethylcyclopropyl)-(3-fluoro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)C2CC2(C)C)cc1F
InChIInChI=1S/C13H18FN/c1-8-4-5-9(6-11(8)14)12(15)10-7-13(10,2)3/h4-6,10,12H,7,15H2,1-3H3
InChIKeyNEQMADYQABJMHS-UHFFFAOYSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 107001276
(2,2-dimethylcyclopropyl)-(3-methylphenyl)methanamine
CID 107004134
(2,3-difluoro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107515949
(S)-(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanamine
CID 131582096
(2,2-dimethylcyclopropyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 107001453
(2,2-dimethylcyclopropyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanamine
CID 107001422
(R)-(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171247844
2,2-difluoro-1-(3-fluoro-4-methylphenyl)ethanamine
CID 80605936
(3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79915576
[(3-fluoro-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105201628
(3-ethyl-1,4-dithian-2-yl)-(3-fluoro-4-methylphenyl)methanamine
CID 107129073
(4-chloro-3-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107995602

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-(3-fluoro-4-methylphenyl)methanamine?
The IUPAC name of (2,2-dimethylcyclopropyl)-(3-fluoro-4-methylphenyl)methanamine (CID 107130024) is (2,2-dimethylcyclopropyl)-(3-fluoro-4-methylphenyl)methanamine.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-(3-fluoro-4-methylphenyl)methanamine?
The canonical SMILES for (2,2-dimethylcyclopropyl)-(3-fluoro-4-methylphenyl)methanamine is Cc1ccc(C(N)C2CC2(C)C)cc1F.
What is the InChIKey of (2,2-dimethylcyclopropyl)-(3-fluoro-4-methylphenyl)methanamine?
The InChIKey is NEQMADYQABJMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-8-4-5-9(6-11(8)14)12(15)10-7-13(10,2)3/h4-6,10,12H,7,15H2,1-3H3.
What are the key properties of (2,2-dimethylcyclopropyl)-(3-fluoro-4-methylphenyl)methanamine?
(2,2-dimethylcyclopropyl)-(3-fluoro-4-methylphenyl)methanamine has a molecular weight of 207.29 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-(3-fluoro-4-methylphenyl)methanamine is sourced from PubChem (CID 107130024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).